#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa4 h HIS 11 N 0.00 0.70 -0.39 2.97 2.07 -2.03 -2.56 115.15 115.91 2qa4 h HIS 11 Ca 0.00 0.02 0.06 0.00 -2.85 0.00 0.00 60.37 57.60 2qa4 h HIS 11 Cb 0.00 -0.21 -0.02 0.00 2.57 0.00 0.00 27.41 29.74 2qa4 h HIS 11 CO 0.00 0.20 0.26 1.49 -3.07 0.00 0.00 177.93 176.81 2qa4 h GLU 12 N 0.54 0.25 -0.29 5.12 4.81 -2.04 0.13 114.58 123.10 2qa4 h GLU 12 Ca 0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2qa4 h GLU 12 Cb 1.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2qa4 h GLU 12 CO -0.22 0.17 0.00 -1.33 -0.73 0.00 0.00 179.01 176.90 2qa4 n MET 13 N -4.47 2.21 -0.00 1.92 0.00 -0.96 -4.05 117.12 111.77 2qa4 n MET 13 Ca 0.05 -1.83 0.01 0.00 0.00 0.00 0.00 57.70 55.94 2qa4 n MET 13 Cb 0.27 -1.47 -0.02 0.00 0.00 0.00 0.00 33.22 32.01 2qa4 n MET 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2qa4 n ARG 14 N 1.05 0.64 -2.25 0.03 5.12 -0.43 -4.14 116.66 116.68 2qa4 n ARG 14 Ca 0.18 -0.02 -0.42 0.00 -1.93 0.00 0.00 57.85 55.66 2qa4 n ARG 14 Cb 0.50 -1.01 -0.03 0.00 -1.16 0.00 0.00 32.46 30.76 2qa4 n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2qa4 s GLU 15 N -2.07 4.29 1.00 5.56 -1.05 0.34 -4.83 118.70 121.94 2qa4 s GLU 15 Ca -0.01 1.94 -0.15 0.00 -0.15 0.00 0.00 54.97 56.60 2qa4 s GLU 15 Cb 0.02 -3.55 0.02 0.00 -0.44 0.00 0.00 34.13 30.18 2qa4 s GLU 15 CO 0.10 -0.55 0.10 -2.30 0.95 0.00 0.00 175.26 173.56 2qa4 n PRO 16 N 5.25 -0.55 -3.75 -4.83 -0.02 -1.26 -4.55 135.00 125.28 2qa4 n PRO 16 Ca 0.13 -0.13 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2qa4 n PRO 16 Cb 0.44 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 2qa4 n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2qa4 s ARG 17 N -3.34 1.53 -0.27 -0.52 1.70 -1.23 -5.01 118.95 111.81 2qa4 s ARG 17 Ca 0.54 -0.80 -0.12 0.00 -0.47 0.00 0.00 55.73 54.88 2qa4 s ARG 17 Cb -0.17 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 2qa4 s ARG 17 CO 0.69 -0.70 0.23 0.42 -1.08 0.00 0.00 175.30 174.86 2qa4 s ILE 18 N -3.71 5.29 -0.15 4.99 1.01 -1.26 -2.64 121.20 124.74 2qa4 s ILE 18 Ca 0.10 0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 2qa4 s ILE 18 Cb -0.04 -3.56 -0.15 0.00 0.01 0.00 0.00 42.46 38.72 2qa4 s ILE 18 CO 0.02 0.26 0.28 -0.08 0.00 0.00 0.00 174.94 175.42 2qa4 h GLU 19 N 8.09 0.00 -3.41 2.79 4.81 -1.40 -3.44 114.58 122.03 2qa4 h GLU 19 Ca -0.35 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2qa4 h GLU 19 Cb 1.18 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 2qa4 h GLU 19 CO 0.60 0.62 -0.07 -1.59 -0.73 0.00 0.00 179.01 177.84 2qa4 s LYS 20 N -2.13 1.15 -0.33 1.92 -2.85 -1.13 -4.46 119.74 111.90 2qa4 s LYS 20 Ca -0.17 -0.78 -0.01 0.00 -1.00 0.00 0.00 55.97 54.00 2qa4 s LYS 20 Cb 0.01 0.47 0.13 0.00 -2.06 0.00 0.00 37.83 36.38 2qa4 s LYS 20 CO 0.44 -0.46 0.19 0.08 0.10 0.00 0.00 175.35 175.69 2qa4 s VAL 21 N -3.83 0.14 0.45 1.79 1.01 -0.49 -0.84 120.40 118.63 2qa4 s VAL 21 Ca 0.06 -1.45 -0.22 0.00 0.00 0.00 0.00 61.98 60.36 2qa4 s VAL 21 Cb 0.01 -1.12 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 2qa4 s VAL 21 CO -0.09 -0.90 1.11 -0.69 0.00 0.00 0.00 175.10 174.52 2qa4 s VAL 22 N 1.36 3.41 -0.29 2.92 1.01 -1.14 -2.82 120.40 124.86 2qa4 s VAL 22 Ca 0.15 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 2qa4 s VAL 22 Cb -0.21 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.78 2qa4 s VAL 22 CO -0.11 -0.06 0.12 0.68 0.00 0.00 0.00 175.10 175.73 2qa4 s VAL 23 N -1.67 0.22 0.26 2.92 -7.23 -0.98 -2.60 120.40 111.31 2qa4 s VAL 23 Ca 0.63 -0.91 0.11 0.00 -1.81 0.00 0.00 61.98 60.00 2qa4 s VAL 23 Cb -0.24 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 2qa4 s VAL 23 CO 0.29 -0.68 -0.18 -2.28 -0.31 0.00 0.00 175.10 171.94 2qa4 s HIS 24 N 1.96 2.13 -0.13 2.82 5.04 -1.21 -2.72 115.29 123.18 2qa4 s HIS 24 Ca 0.09 -0.40 -0.01 0.00 -1.54 0.00 0.00 55.06 53.20 2qa4 s HIS 24 Cb -0.16 -0.94 0.03 0.00 0.04 0.00 0.00 32.58 31.55 2qa4 s HIS 24 CO -0.32 0.62 -0.05 -1.64 -2.34 0.00 0.00 174.74 171.01 2qa4 s MET 25 N -3.55 1.33 -0.84 2.88 -1.94 -0.97 -2.22 119.30 113.99 2qa4 s MET 25 Ca 0.28 -0.33 -0.15 0.00 -1.71 0.00 0.00 55.69 53.78 2qa4 s MET 25 Cb -0.04 -1.72 0.20 0.00 2.01 0.00 0.00 34.83 35.29 2qa4 s MET 25 CO 0.13 -0.36 0.82 0.20 -0.01 0.00 0.00 175.02 175.80 2qa4 s GLY 26 N 1.72 2.54 0.00 -0.03 0.00 -1.26 -3.48 107.32 106.80 2qa4 s GLY 26 Ca 0.03 -3.22 0.00 0.00 0.00 0.00 0.00 44.72 41.53 2qa4 s GLY 26 CO -0.08 1.38 0.00 1.39 0.00 0.00 0.00 173.10 175.79 2qa4 n ILE 27 N 4.24 0.00 -1.82 0.90 5.41 -1.22 -5.02 119.36 121.85 2qa4 n ILE 27 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.90 2qa4 n ILE 27 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 2qa4 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qa4 n GLY 28 N 5.00 0.88 0.00 7.39 0.00 -1.26 -5.00 105.19 112.20 2qa4 n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qa4 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qa4 n HIS 29 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.96 115.22 110.60 2qa4 n HIS 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2qa4 n HIS 29 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 2qa4 n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qa4 n ALA 35 N -0.03 0.00 0.25 1.59 0.00 -1.26 -4.74 120.51 116.32 2qa4 n ALA 35 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2qa4 n ALA 35 Cb 0.00 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.30 2qa4 n ALA 35 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qa4 h ASN 36 N 0.00 0.00 0.23 0.00 -1.07 -2.02 -0.37 115.58 112.36 2qa4 h ASN 36 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2qa4 h ASN 36 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2qa4 h ASN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 2qa4 n ALA 37 N -2.36 1.64 0.28 4.14 0.00 -1.26 -2.57 120.51 120.37 2qa4 n ALA 37 Ca -0.01 -0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.54 2qa4 n ALA 37 Cb 0.18 -1.18 0.79 0.00 0.00 0.00 0.00 19.45 19.24 2qa4 n ALA 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qa4 h GLU 38 N 0.00 0.00 0.30 0.00 4.81 -1.48 -2.86 114.58 115.35 2qa4 h GLU 38 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2qa4 h GLU 38 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2qa4 h GLU 38 CO 0.00 0.00 -0.14 -0.44 -0.73 0.00 0.00 179.01 177.70 2qa4 h ASP 39 N 0.00 -0.34 -0.10 1.04 3.32 -1.74 -3.31 116.42 115.30 2qa4 h ASP 39 Ca 0.00 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.89 2qa4 h ASP 39 Cb 0.14 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2qa4 h ASP 39 CO 0.00 0.08 -0.14 0.16 -1.72 0.00 0.00 179.24 177.62 2qa4 h ILE 40 N -0.83 0.63 0.00 0.35 3.07 -1.76 -2.52 117.51 116.45 2qa4 h ILE 40 Ca -0.04 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.37 2qa4 h ILE 40 Cb 0.52 0.63 -0.00 0.00 -0.27 0.00 0.00 36.82 37.69 2qa4 h ILE 40 CO 0.07 0.00 -0.01 -0.07 -1.05 0.00 0.00 178.15 177.09 2qa4 h LEU 41 N -0.19 0.00 -1.01 0.16 3.38 -1.72 -1.54 115.31 114.40 2qa4 h LEU 41 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qa4 h LEU 41 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2qa4 h LEU 41 CO -0.21 0.01 -0.12 1.23 0.09 0.00 0.00 178.44 179.44 2qa4 h GLY 42 N 0.24 0.00 0.00 0.83 0.00 -1.53 -3.23 103.07 99.39 2qa4 h GLY 42 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2qa4 h GLY 42 CO 0.00 0.00 -2.05 1.18 0.00 0.00 0.00 176.54 175.67 2qa4 n GLU 43 N -3.22 0.57 0.00 4.80 1.02 -0.64 -3.85 120.64 119.32 2qa4 n GLU 43 Ca 0.01 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2qa4 n GLU 43 Cb 0.41 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2qa4 n GLU 43 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 2qa4 n ILE 44 N -4.32 0.70 0.00 -3.67 3.06 -0.83 -3.70 119.36 110.60 2qa4 n ILE 44 Ca -0.43 0.23 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 2qa4 n ILE 44 Cb 0.78 -1.23 0.00 0.00 0.54 0.00 0.00 39.64 39.72 2qa4 n ILE 44 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2qa4 n THR 45 N -1.11 0.00 0.00 9.51 -2.24 -1.22 -4.91 114.28 114.31 2qa4 n THR 45 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qa4 n THR 45 Cb 0.06 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2qa4 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qa4 n GLY 46 N 3.61 -0.82 0.00 3.38 0.00 -1.24 -4.89 105.19 105.22 2qa4 n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qa4 n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qa4 n GLN 47 N 0.00 0.00 -3.70 1.61 10.64 -1.26 -5.08 117.38 119.59 2qa4 n GLN 47 Ca 0.00 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.80 2qa4 n GLN 47 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 2qa4 n GLN 47 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2qa4 s MET 48 N 0.53 3.67 0.00 2.61 -1.94 -1.26 -4.52 119.30 118.39 2qa4 s MET 48 Ca 0.00 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.10 2qa4 s MET 48 Cb 0.00 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.65 2qa4 s MET 48 CO 0.00 0.73 0.00 -2.30 -0.01 0.00 0.00 175.02 173.44 2qa4 n PRO 49 N 1.83 0.19 -3.68 2.03 -0.02 -1.26 -4.79 135.00 129.30 2qa4 n PRO 49 Ca -0.17 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.17 2qa4 n PRO 49 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.93 2qa4 n PRO 49 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qa4 s VAL 50 N -0.75 0.01 1.19 -1.45 1.01 0.02 -4.89 120.40 115.54 2qa4 s VAL 50 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 2qa4 s VAL 50 Cb 0.00 -0.74 0.30 0.00 0.00 0.00 0.00 36.38 35.93 2qa4 s VAL 50 CO 0.00 -0.03 1.02 -0.13 0.00 0.00 0.00 175.10 175.95 2qa4 s ARG 51 N -0.10 -1.14 -0.31 2.72 1.81 -1.26 -0.66 118.95 120.01 2qa4 s ARG 51 Ca -0.03 0.82 -0.03 0.00 -1.72 0.00 0.00 55.73 54.78 2qa4 s ARG 51 Cb -0.03 -1.53 0.11 0.00 -0.45 0.00 0.00 34.95 33.04 2qa4 s ARG 51 CO 0.02 -3.87 0.13 0.99 -0.68 0.00 0.00 175.30 171.90 2qa4 s THR 52 N -2.42 0.23 0.15 0.02 2.01 -0.78 -4.62 115.64 110.23 2qa4 s THR 52 Ca 0.69 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 2qa4 s THR 52 Cb -0.25 -1.20 -0.07 0.00 0.01 0.00 0.00 72.50 70.98 2qa4 s THR 52 CO 0.65 -0.75 0.67 -0.54 -0.69 0.00 0.00 174.62 173.96 2qa4 s LYS 53 N 1.81 4.30 0.29 4.92 1.02 -1.24 0.39 119.74 131.24 2qa4 s LYS 53 Ca 0.10 0.88 -0.01 0.00 0.02 0.00 0.00 55.97 56.96 2qa4 s LYS 53 Cb -0.17 -3.12 0.06 0.00 -0.52 0.00 0.00 37.83 34.07 2qa4 s LYS 53 CO -0.29 0.54 0.40 0.00 -0.92 0.00 0.00 175.35 175.08 2qa4 n ALA 54 N 1.34 0.01 -2.94 5.17 0.00 -1.16 -4.91 120.51 118.02 2qa4 n ALA 54 Ca -0.06 -0.74 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 2qa4 n ALA 54 Cb 0.50 0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 2qa4 n ALA 54 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qa4 s LYS 55 N -3.49 0.11 0.02 0.00 1.02 -1.26 -4.39 119.74 111.75 2qa4 s LYS 55 Ca 0.26 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.19 2qa4 s LYS 55 Cb -0.01 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2qa4 s LYS 55 CO 0.17 -0.02 0.00 0.54 -0.92 0.00 0.00 175.35 175.12 2qa4 n ARG 56 N 2.75 -0.15 -4.02 1.68 1.74 -1.26 -4.90 116.66 112.49 2qa4 n ARG 56 Ca -0.14 0.11 -0.35 0.00 -0.77 0.00 0.00 57.85 56.69 2qa4 n ARG 56 Cb 0.59 -0.19 -0.12 0.00 -1.02 0.00 0.00 32.46 31.73 2qa4 n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qa4 s THR 57 N -1.40 4.30 0.19 0.55 2.01 -1.26 -4.34 115.64 115.67 2qa4 s THR 57 Ca 0.00 -0.20 0.10 0.00 0.31 0.00 0.00 61.69 61.90 2qa4 s THR 57 Cb 0.00 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2qa4 s THR 57 CO 0.00 0.42 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.49 2qa4 s VAL 58 N 0.89 2.75 0.06 3.82 1.01 -0.42 -4.91 120.40 123.61 2qa4 s VAL 58 Ca 0.02 -1.85 0.29 0.00 0.00 0.00 0.00 61.98 60.45 2qa4 s VAL 58 Cb -0.14 -2.34 0.33 0.00 0.00 0.00 0.00 36.38 34.23 2qa4 s VAL 58 CO 0.02 -0.11 1.89 1.23 0.00 0.00 0.00 175.10 178.14 2qa4 h GLY 59 N 3.08 0.00 -4.25 4.51 0.00 -2.00 -3.06 103.07 101.35 2qa4 h GLY 59 Ca -0.47 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.59 2qa4 h GLY 59 CO 0.51 0.00 0.51 -1.84 0.00 0.00 0.00 176.54 175.72 2qa4 n GLU 60 N -3.20 2.26 -4.22 4.80 0.28 -1.26 -4.67 120.64 114.64 2qa4 n GLU 60 Ca 0.01 -1.21 -0.33 0.00 -0.16 0.00 0.00 57.16 55.47 2qa4 n GLU 60 Cb 0.37 -2.15 -0.05 0.00 1.43 0.00 0.00 31.44 31.04 2qa4 n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2qa4 n PHE 61 N 2.76 -1.49 -2.96 -1.84 -0.00 -1.25 -4.89 117.46 107.78 2qa4 n PHE 61 Ca 0.49 0.72 -0.19 0.00 -0.00 0.00 0.00 57.45 58.46 2qa4 n PHE 61 Cb 0.74 -2.97 -0.02 0.00 -0.00 0.00 0.00 39.48 37.24 2qa4 n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2qa4 n ASP 62 N -2.78 2.10 0.04 -2.13 2.03 -1.16 -4.87 116.55 109.78 2qa4 n ASP 62 Ca -0.14 -3.16 -0.13 0.00 0.52 0.00 0.00 54.79 51.88 2qa4 n ASP 62 Cb 0.60 -0.57 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 2qa4 n ASP 62 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2qa4 h ILE 63 N 1.98 1.36 -2.38 5.18 3.07 -1.85 -1.10 117.51 123.77 2qa4 h ILE 63 Ca 0.08 -2.21 -0.54 0.00 1.55 0.00 0.00 64.86 63.75 2qa4 h ILE 63 Cb 0.91 2.20 0.03 0.00 -0.27 0.00 0.00 36.82 39.68 2qa4 h ILE 63 CO 0.60 0.67 1.19 -1.14 -1.05 0.00 0.00 178.15 178.42 2qa4 n ARG 64 N -3.83 2.80 0.00 0.16 0.63 -1.26 -4.16 116.66 111.01 2qa4 n ARG 64 Ca -0.06 1.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 2qa4 n ARG 64 Cb 0.77 -2.96 0.00 0.00 0.45 0.00 0.00 32.46 30.72 2qa4 n ARG 64 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2qa4 n GLU 65 N 6.85 0.00 -2.54 -0.14 2.13 -1.26 -4.54 120.64 121.15 2qa4 n GLU 65 Ca 0.20 0.32 -0.41 0.00 0.66 0.00 0.00 57.16 57.93 2qa4 n GLU 65 Cb 0.39 -0.98 -0.02 0.00 0.27 0.00 0.00 31.44 31.09 2qa4 n GLU 65 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2qa4 s GLY 66 N -1.31 1.32 -0.07 8.31 0.00 -1.26 -3.00 107.32 111.31 2qa4 s GLY 66 Ca 0.00 -2.44 -0.16 0.00 0.00 0.00 0.00 44.72 42.12 2qa4 s GLY 66 CO 0.00 2.75 0.38 0.51 0.00 0.00 0.00 173.10 176.74 2qa4 s ASP 67 N 4.89 -0.32 -0.31 1.64 -4.77 -1.26 -5.00 116.67 111.55 2qa4 s ASP 67 Ca 0.50 0.42 -0.28 0.00 -3.30 0.00 0.00 52.55 49.89 2qa4 s ASP 67 Cb 0.01 0.53 -0.03 0.00 -1.09 0.00 0.00 42.92 42.34 2qa4 s ASP 67 CO -0.03 -0.34 1.97 -2.84 0.70 0.00 0.00 175.17 174.63 2qa4 s PRO 68 N -0.71 3.18 -0.29 2.11 0.02 -1.26 -3.47 135.00 134.58 2qa4 s PRO 68 Ca -0.08 1.60 0.12 0.00 0.02 0.00 0.00 61.00 62.66 2qa4 s PRO 68 Cb -0.04 -4.28 0.47 0.00 0.02 0.00 0.00 34.50 30.67 2qa4 s PRO 68 CO 0.03 -2.04 1.16 -0.89 -0.33 0.00 0.00 177.00 174.93 2qa4 n ILE 69 N 7.55 2.10 -0.63 2.83 5.41 0.16 -4.44 119.36 132.34 2qa4 n ILE 69 Ca 0.26 -3.83 0.00 0.00 1.00 0.00 0.00 62.75 60.18 2qa4 n ILE 69 Cb 0.47 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 2qa4 n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qa4 n GLY 70 N -0.65 0.65 3.43 7.39 0.00 -1.25 -3.40 105.19 111.36 2qa4 n GLY 70 Ca 0.32 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 2qa4 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qa4 s ALA 71 N -1.00 -1.60 0.11 4.61 0.00 -1.23 -1.86 121.76 120.78 2qa4 s ALA 71 Ca 0.00 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.51 2qa4 s ALA 71 Cb 0.00 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.82 2qa4 s ALA 71 CO 0.00 -0.68 0.21 -1.59 0.00 0.00 0.00 175.76 173.70 2qa4 s LYS 72 N -3.24 0.92 -0.14 0.00 -2.85 0.17 -2.28 119.74 112.32 2qa4 s LYS 72 Ca -0.01 -1.02 -0.04 0.00 -1.00 0.00 0.00 55.97 53.89 2qa4 s LYS 72 Cb -0.01 0.35 0.07 0.00 -2.06 0.00 0.00 37.83 36.18 2qa4 s LYS 72 CO -0.08 -0.31 0.25 0.08 0.10 0.00 0.00 175.35 175.39 2qa4 s VAL 73 N -3.89 -0.39 -0.30 1.79 1.01 -1.10 -0.80 120.40 116.72 2qa4 s VAL 73 Ca 0.08 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.03 2qa4 s VAL 73 Cb 0.05 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 2qa4 s VAL 73 CO -0.08 0.05 0.77 0.42 0.00 0.00 0.00 175.10 176.26 2qa4 s THR 74 N 2.39 4.82 -0.23 3.92 -4.23 -1.26 -2.31 115.64 118.74 2qa4 s THR 74 Ca 0.03 1.19 -0.08 0.00 -1.18 0.00 0.00 61.69 61.65 2qa4 s THR 74 Cb -0.13 -4.12 -0.04 0.00 1.34 0.00 0.00 72.50 69.56 2qa4 s THR 74 CO -0.09 -0.21 0.09 -0.76 -0.54 0.00 0.00 174.62 173.11 2qa4 s LEU 75 N 2.89 3.69 0.02 4.79 1.43 -1.13 -4.94 118.68 125.43 2qa4 s LEU 75 Ca 0.32 -0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2qa4 s LEU 75 Cb -0.14 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2qa4 s LEU 75 CO 0.12 0.04 -0.21 -0.13 0.23 0.00 0.00 176.35 176.40 2qa4 s ARG 76 N 1.20 1.49 3.69 1.70 0.52 -1.26 -1.40 118.95 124.90 2qa4 s ARG 76 Ca 0.05 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 2qa4 s ARG 76 Cb -0.14 -1.55 0.00 0.00 0.52 0.00 0.00 34.95 33.78 2qa4 s ARG 76 CO 0.04 0.41 0.00 -0.25 0.02 0.00 0.00 175.30 175.52 2qa4 n ASP 77 N 2.10 0.00 0.06 0.23 8.00 -1.26 -3.92 116.55 121.76 2qa4 n ASP 77 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2qa4 n ASP 77 Cb 0.53 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.95 2qa4 n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2qa4 h GLU 78 N 0.00 0.36 -0.91 -1.24 5.08 -1.99 -2.45 114.58 113.44 2qa4 h GLU 78 Ca 0.00 -0.09 0.25 0.00 -1.00 0.00 0.00 59.36 58.51 2qa4 h GLU 78 Cb 0.00 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2qa4 h GLU 78 CO 0.00 0.49 0.63 0.52 -1.00 0.00 0.00 179.01 179.66 2qa4 h MET 79 N 0.34 0.12 0.03 2.33 2.86 -1.95 0.51 114.93 119.17 2qa4 h MET 79 Ca 0.07 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2qa4 h MET 79 Cb 0.43 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2qa4 h MET 79 CO 0.02 0.08 -0.01 0.00 1.06 0.00 0.00 176.91 178.06 2qa4 h ALA 80 N 1.57 -0.04 0.29 6.32 0.00 -1.65 -2.90 119.26 122.87 2qa4 h ALA 80 Ca 0.45 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qa4 h ALA 80 Cb 1.56 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2qa4 h ALA 80 CO -0.07 -0.05 -0.30 0.93 0.00 0.00 0.00 179.25 179.76 2qa4 h GLU 81 N -0.98 -0.61 -0.67 0.00 5.08 -1.42 0.88 114.58 116.87 2qa4 h GLU 81 Ca -0.00 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.59 2qa4 h GLU 81 Cb 0.56 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2qa4 h GLU 81 CO 0.01 -0.40 0.52 0.93 -1.00 0.00 0.00 179.01 179.07 2qa4 h GLU 82 N -0.63 0.00 0.19 2.33 5.08 -1.07 1.33 114.58 121.81 2qa4 h GLU 82 Ca -0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2qa4 h GLU 82 Cb 0.58 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.85 2qa4 h GLU 82 CO -0.07 0.00 -1.59 0.35 -1.00 0.00 0.00 179.01 176.71 2qa4 h PHE 83 N 0.00 0.75 0.00 4.33 3.57 -1.05 -3.33 116.94 121.21 2qa4 h PHE 83 Ca 0.32 -0.54 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2qa4 h PHE 83 Cb 1.36 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2qa4 h PHE 83 CO 0.00 1.62 0.00 -0.07 -2.23 0.00 0.00 178.31 177.63 2qa4 h LEU 84 N 0.03 0.00 -0.95 0.59 3.38 0.52 -1.32 115.31 117.57 2qa4 h LEU 84 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2qa4 h LEU 84 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.80 2qa4 h LEU 84 CO 0.19 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.72 2qa4 n GLN 85 N -2.69 1.25 0.00 1.13 6.02 0.41 -2.73 117.38 120.76 2qa4 n GLN 85 Ca 0.02 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 2qa4 n GLN 85 Cb 0.29 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.12 2qa4 n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2qa4 n THR 86 N -0.05 0.00 0.08 5.09 -2.24 -1.03 -4.93 114.28 111.20 2qa4 n THR 86 Ca 0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 2qa4 n THR 86 Cb 0.25 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 2qa4 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qa4 h ALA 87 N 0.00 -0.29 -0.86 6.98 0.00 -1.25 -3.35 119.26 120.48 2qa4 h ALA 87 Ca 0.00 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.00 2qa4 h ALA 87 Cb 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 2qa4 h ALA 87 CO 0.00 -0.29 0.08 -0.07 0.00 0.00 0.00 179.25 178.97 2qa4 h LEU 88 N -1.03 -0.28 -1.47 0.00 3.38 -1.78 0.97 115.31 115.10 2qa4 h LEU 88 Ca -0.03 0.22 0.12 0.00 0.09 0.00 0.00 57.88 58.28 2qa4 h LEU 88 Cb 0.36 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2qa4 h LEU 88 CO 0.05 -0.22 0.49 -0.65 0.09 0.00 0.00 178.44 178.20 2qa4 h PRO 89 N 0.11 0.55 0.00 1.13 0.11 -1.80 -1.38 132.00 130.72 2qa4 h PRO 89 Ca 0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.59 2qa4 h PRO 89 Cb 1.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2qa4 h PRO 89 CO -0.74 0.36 0.00 1.28 -0.21 0.00 0.00 178.00 178.69 2qa4 n LEU 90 N -4.50 0.00 -3.87 2.35 4.77 0.34 -4.78 117.00 111.31 2qa4 n LEU 90 Ca 0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2qa4 n LEU 90 Cb 0.40 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2qa4 n LEU 90 CO 0.32 0.00 -0.35 0.00 -1.33 0.00 0.00 177.39 176.03 2qa4 s ALA 91 N -2.00 -0.02 -0.73 -1.18 0.00 -0.52 -5.09 121.76 112.22 2qa4 s ALA 91 Ca 0.07 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 2qa4 s ALA 91 Cb 0.03 -0.01 0.14 0.00 0.00 0.00 0.00 23.12 23.28 2qa4 s ALA 91 CO 0.06 -0.01 0.82 -1.21 0.00 0.00 0.00 175.76 175.42 2qa4 s GLU 92 N -0.04 3.30 0.47 0.00 2.02 -1.26 -4.97 118.70 118.22 2qa4 s GLU 92 Ca -0.01 -1.69 -0.23 0.00 0.02 0.00 0.00 54.97 53.07 2qa4 s GLU 92 Cb -0.00 -4.46 -0.07 0.00 0.10 0.00 0.00 34.13 29.70 2qa4 s GLU 92 CO -0.00 -1.54 1.17 -0.51 0.02 0.00 0.00 175.26 174.40 2qa4 s LEU 93 N 2.09 3.98 0.00 1.80 1.43 -1.26 -5.06 118.68 121.67 2qa4 s LEU 93 Ca 0.18 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 2qa4 s LEU 93 Cb -0.16 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 41.78 2qa4 s LEU 93 CO -0.01 -0.97 0.00 0.00 0.23 0.00 0.00 176.35 175.60 2qa4 n ALA 94 N -0.58 0.00 -0.03 4.21 0.00 -1.26 -4.15 120.51 118.70 2qa4 n ALA 94 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 2qa4 n ALA 94 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 2qa4 n ALA 94 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qa4 h THR 95 N 0.79 0.00 0.00 0.00 2.02 -1.88 -3.38 112.91 110.46 2qa4 h THR 95 Ca 0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2qa4 h THR 95 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2qa4 h THR 95 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 2qa4 n SER 96 N -3.32 0.00 -0.96 4.18 3.41 -1.26 -1.93 113.62 113.74 2qa4 n SER 96 Ca -0.02 0.08 0.05 0.00 -0.26 0.00 0.00 58.87 58.71 2qa4 n SER 96 Cb 0.09 -0.08 0.18 0.00 -0.26 0.00 0.00 64.21 64.14 2qa4 n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qa4 n GLN 97 N -1.07 2.45 -4.43 4.33 6.02 -1.26 -4.90 117.38 118.52 2qa4 n GLN 97 Ca 0.00 -1.45 -0.31 0.00 -0.01 0.00 0.00 57.00 55.23 2qa4 n GLN 97 Cb 0.00 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 29.54 2qa4 n GLN 97 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2qa4 s PHE 98 N -1.71 2.72 0.69 1.08 0.40 -0.81 -4.11 117.98 116.24 2qa4 s PHE 98 Ca 0.26 -0.15 -0.10 0.00 -0.60 0.00 0.00 56.93 56.34 2qa4 s PHE 98 Cb 0.17 -1.49 0.02 0.00 0.51 0.00 0.00 43.02 42.23 2qa4 s PHE 98 CO 0.12 0.36 1.05 0.34 0.70 0.00 0.00 175.22 177.79 2qa4 s ASP 99 N -1.74 5.34 0.47 1.36 2.15 -0.34 -4.93 116.67 118.99 2qa4 s ASP 99 Ca 0.18 0.95 0.24 0.00 0.43 0.00 0.00 52.55 54.36 2qa4 s ASP 99 Cb -0.11 -1.75 1.14 0.00 -0.30 0.00 0.00 42.92 41.89 2qa4 s ASP 99 CO 0.09 -1.35 1.93 0.44 -0.17 0.00 0.00 175.17 176.11 2qa4 h ASP 100 N -0.58 0.00 0.53 -0.34 5.19 -1.93 -1.92 116.42 117.37 2qa4 h ASP 100 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2qa4 h ASP 100 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2qa4 h ASP 100 CO 0.63 0.20 -0.31 0.41 -3.12 0.00 0.00 179.24 177.05 2qa4 n THR 101 N -3.56 0.00 -0.60 0.35 -1.04 -1.26 -4.08 114.28 104.09 2qa4 n THR 101 Ca -0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2qa4 n THR 101 Cb 0.34 0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 2qa4 n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qa4 n GLY 102 N 1.44 1.30 0.52 3.41 0.00 -0.72 -4.16 105.19 106.98 2qa4 n GLY 102 Ca 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 2qa4 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qa4 n ASN 103 N 0.68 0.76 -3.63 1.61 5.03 -1.26 -4.68 115.26 113.77 2qa4 n ASN 103 Ca 0.00 -1.23 -0.04 0.00 0.87 0.00 0.00 54.58 54.18 2qa4 n ASN 103 Cb 0.13 -0.03 -0.05 0.00 -1.02 0.00 0.00 39.78 38.81 2qa4 n ASN 103 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2qa4 s PHE 104 N 0.07 -0.12 -0.01 3.10 -0.00 -1.22 -1.20 117.98 118.59 2qa4 s PHE 104 Ca 0.06 0.23 0.04 0.00 -0.00 0.00 0.00 56.93 57.27 2qa4 s PHE 104 Cb -0.00 0.48 -0.01 0.00 -0.00 0.00 0.00 43.02 43.48 2qa4 s PHE 104 CO 0.04 -0.10 -0.14 0.45 -0.00 0.00 0.00 175.22 175.46 2qa4 s SER 105 N -0.83 1.70 -0.05 1.98 0.15 -1.26 -1.66 113.70 113.74 2qa4 s SER 105 Ca 0.06 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 2qa4 s SER 105 Cb -0.02 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 2qa4 s SER 105 CO -0.07 0.18 0.02 0.72 1.20 0.00 0.00 173.24 175.29 2qa4 s PHE 106 N -0.35 0.32 -0.35 3.44 -0.71 -0.44 -4.99 117.98 114.90 2qa4 s PHE 106 Ca 0.06 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.99 2qa4 s PHE 106 Cb -0.06 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.21 2qa4 s PHE 106 CO -0.01 -0.21 0.00 0.41 -1.34 0.00 0.00 175.22 174.08 2qa4 n GLY 107 N 4.86 -0.58 0.00 1.99 0.00 -1.26 -2.68 105.19 107.52 2qa4 n GLY 107 Ca -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2qa4 n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qa4 n LEU 128 N 0.00 0.00 -4.30 0.99 0.00 -1.26 -4.99 117.00 107.44 2qa4 n LEU 128 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 56.01 55.83 2qa4 n LEU 128 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.32 2qa4 n LEU 128 CO 0.00 0.00 -0.44 -1.81 0.00 0.00 0.00 177.39 175.14 2qa4 s ASP 129 N 0.00 2.28 -0.24 1.96 1.01 -0.94 -5.06 116.67 115.68 2qa4 s ASP 129 Ca 0.00 -0.94 -0.05 0.00 0.71 0.00 0.00 52.55 52.26 2qa4 s ASP 129 Cb 0.00 -0.10 0.12 0.00 1.01 0.00 0.00 42.92 43.95 2qa4 s ASP 129 CO 0.00 -0.18 0.45 -0.69 0.21 0.00 0.00 175.17 174.97 2qa4 s VAL 130 N -2.71 -0.72 0.23 -1.27 1.01 -1.09 -3.30 120.40 112.55 2qa4 s VAL 130 Ca 0.17 0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.31 2qa4 s VAL 130 Cb -0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 2qa4 s VAL 130 CO 0.05 -0.01 -0.15 -0.89 0.00 0.00 0.00 175.10 174.10 2qa4 s THR 131 N 2.66 2.80 -0.09 3.92 2.01 -1.07 -1.32 115.64 124.55 2qa4 s THR 131 Ca 0.05 -2.05 0.01 0.00 0.31 0.00 0.00 61.69 60.01 2qa4 s THR 131 Cb -0.13 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 69.96 2qa4 s THR 131 CO -0.15 -0.26 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.72 2qa4 s VAL 132 N -2.09 1.08 -0.38 3.82 1.01 -0.66 -2.90 120.40 120.27 2qa4 s VAL 132 Ca 0.27 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 2qa4 s VAL 132 Cb -0.07 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2qa4 s VAL 132 CO 0.15 0.36 0.25 0.21 0.00 0.00 0.00 175.10 176.06 2qa4 s ASN 133 N 1.11 5.91 0.14 3.32 3.04 -0.02 -3.44 114.94 125.00 2qa4 s ASN 133 Ca -0.06 -0.89 0.06 0.00 0.04 0.00 0.00 52.86 52.01 2qa4 s ASN 133 Cb -0.14 -2.09 -0.04 0.00 -1.54 0.00 0.00 41.25 37.44 2qa4 s ASN 133 CO -0.02 -0.39 -0.00 -0.76 -3.04 0.00 0.00 177.10 172.89 2qa4 s LEU 134 N 1.62 3.37 -0.21 3.21 1.43 -1.26 -0.97 118.68 125.87 2qa4 s LEU 134 Ca 0.04 -0.31 -0.35 0.00 -1.03 0.00 0.00 54.13 52.48 2qa4 s LEU 134 Cb -0.19 -2.06 0.15 0.00 0.03 0.00 0.00 46.19 44.12 2qa4 s LEU 134 CO 0.08 0.12 1.24 0.54 0.23 0.00 0.00 176.35 178.56 2qa4 s VAL 135 N -1.54 0.00 0.39 -1.59 0.11 -1.08 -4.87 120.40 111.82 2qa4 s VAL 135 Ca 0.26 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.05 2qa4 s VAL 135 Cb -0.10 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.66 2qa4 s VAL 135 CO 0.18 0.00 1.26 -0.13 -3.33 0.00 0.00 175.10 173.09 2qa4 s ARG 136 N -2.16 4.05 0.21 1.54 0.52 -1.26 -3.58 118.95 118.28 2qa4 s ARG 136 Ca 0.09 2.07 0.14 0.00 -0.52 0.00 0.00 55.73 57.51 2qa4 s ARG 136 Cb -0.01 -2.78 0.76 0.00 0.52 0.00 0.00 34.95 33.44 2qa4 s ARG 136 CO -0.04 -0.40 0.85 -2.30 0.02 0.00 0.00 175.30 173.43 2qa4 n PRO 137 N 0.22 -0.03 -1.16 3.54 -0.02 -1.26 -2.66 135.00 133.64 2qa4 n PRO 137 Ca 0.03 0.72 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 2qa4 n PRO 137 Cb 0.44 -1.34 0.03 0.00 -0.02 0.00 0.00 33.50 32.61 2qa4 n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa4 n GLY 138 N -1.19 4.59 0.11 -1.23 0.00 -1.26 -4.49 105.19 101.71 2qa4 n GLY 138 Ca 0.21 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.80 2qa4 n GLY 138 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qa4 n TYR 139 N 0.16 0.00 0.08 1.61 9.36 -1.09 -3.24 117.16 124.05 2qa4 n TYR 139 Ca 0.42 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.54 2qa4 n TYR 139 Cb 0.57 -0.10 -0.04 0.00 -0.63 0.00 0.00 39.34 39.14 2qa4 n TYR 139 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 2qa4 h ARG 140 N 0.52 0.24 -0.75 2.98 2.43 -1.90 -3.07 114.38 114.83 2qa4 h ARG 140 Ca 0.00 -0.28 0.19 0.00 -0.81 0.00 0.00 59.98 59.08 2qa4 h ARG 140 Cb 0.23 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2qa4 h ARG 140 CO 0.00 1.02 0.52 0.28 -1.51 0.00 0.00 179.97 180.28 2qa4 h VAL 141 N 0.12 0.70 0.08 0.20 2.07 -1.88 0.33 116.25 117.88 2qa4 h VAL 141 Ca -0.06 -0.07 -0.32 0.00 0.82 0.00 0.00 66.70 67.07 2qa4 h VAL 141 Cb 1.59 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2qa4 h VAL 141 CO 0.15 0.04 -1.77 0.00 0.02 0.00 0.00 177.57 176.00 2qa4 h ALA 142 N 1.64 0.51 -0.00 1.67 0.00 -1.57 0.07 119.26 121.58 2qa4 h ALA 142 Ca 0.37 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2qa4 h ALA 142 Cb 1.15 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2qa4 h ALA 142 CO -0.07 1.37 -0.07 1.63 0.00 0.00 0.00 179.25 182.10 2qa4 n LYS 143 N -3.32 0.81 0.00 0.00 4.76 -0.39 -4.48 118.16 115.53 2qa4 n LYS 143 Ca -0.22 -0.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.97 2qa4 n LYS 143 Cb 1.05 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 2qa4 n LYS 143 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2qa4 n ARG 144 N -0.88 0.92 0.02 1.97 1.85 0.10 -5.04 116.66 115.59 2qa4 n ARG 144 Ca 0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 57.00 2qa4 n ARG 144 Cb 0.25 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.66 2qa4 n ARG 144 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2qa4 n ASP 145 N -0.22 1.23 -4.66 2.89 10.43 -1.26 -4.81 116.55 120.15 2qa4 n ASP 145 Ca 0.00 0.17 -0.43 0.00 2.57 0.00 0.00 54.79 57.10 2qa4 n ASP 145 Cb 0.00 -0.41 -0.02 0.00 1.84 0.00 0.00 41.12 42.53 2qa4 n ASP 145 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2qa4 s LYS 146 N -2.14 4.24 -1.78 -1.24 1.02 -1.26 -3.61 119.74 114.97 2qa4 s LYS 146 Ca -0.06 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.61 2qa4 s LYS 146 Cb 0.01 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 2qa4 s LYS 146 CO 0.08 -0.69 0.00 0.00 -0.92 0.00 0.00 175.35 173.83 2qa4 n ALA 147 N 6.48 -0.58 -1.44 5.17 0.00 -1.26 -4.95 120.51 123.94 2qa4 n ALA 147 Ca 0.14 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 2qa4 n ALA 147 Cb 0.45 -2.11 0.06 0.00 0.00 0.00 0.00 19.45 17.85 2qa4 n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qa4 n SER 148 N -1.88 -0.35 -3.71 0.00 3.41 -1.24 -5.00 113.62 104.86 2qa4 n SER 148 Ca -0.23 0.70 -0.13 0.00 -0.26 0.00 0.00 58.87 58.95 2qa4 n SER 148 Cb 0.68 -1.28 -0.09 0.00 -0.26 0.00 0.00 64.21 63.25 2qa4 n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qa4 s ARG 149 N -2.66 0.54 0.95 4.33 3.52 0.01 -4.97 118.95 120.67 2qa4 s ARG 149 Ca 0.71 0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 56.89 2qa4 s ARG 149 Cb -0.39 0.24 0.16 0.00 -1.56 0.00 0.00 34.95 33.39 2qa4 s ARG 149 CO 0.52 -0.08 1.10 0.45 -0.81 0.00 0.00 175.30 176.48 2qa4 s SER 150 N 0.40 2.86 -0.11 -2.12 0.15 -1.26 -2.99 113.70 110.63 2qa4 s SER 150 Ca -0.01 1.77 -0.14 0.00 0.70 0.00 0.00 55.95 58.26 2qa4 s SER 150 Cb -0.04 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 2qa4 s SER 150 CO -0.01 -3.07 0.35 -0.63 1.20 0.00 0.00 173.24 171.08 2qa4 s ILE 151 N -2.73 5.23 0.27 6.45 -1.09 -1.26 -4.92 121.20 123.15 2qa4 s ILE 151 Ca 0.65 0.68 -0.31 0.00 -2.23 0.00 0.00 60.65 59.45 2qa4 s ILE 151 Cb -0.21 -3.67 -0.12 0.00 -1.58 0.00 0.00 42.46 36.88 2qa4 s ILE 151 CO 0.59 0.44 1.58 -2.65 -1.23 0.00 0.00 174.94 173.67 2qa4 n PRO 152 N 3.07 2.59 0.00 2.79 -0.02 -1.26 -4.83 135.00 137.35 2qa4 n PRO 152 Ca -0.12 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2qa4 n PRO 152 Cb 0.52 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2qa4 n PRO 152 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qa4 n THR 153 N 2.34 1.08 -0.00 3.45 -2.24 -1.26 -0.38 114.28 117.27 2qa4 n THR 153 Ca 0.10 0.38 -0.19 0.00 -2.27 0.00 0.00 64.05 62.07 2qa4 n THR 153 Cb 0.35 -1.38 -0.14 0.00 -2.10 0.00 0.00 70.33 67.06 2qa4 n THR 153 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qa4 n LYS 154 N -1.24 0.74 -0.21 -0.78 4.01 -1.26 -3.90 118.16 115.52 2qa4 n LYS 154 Ca 0.00 0.26 0.05 0.00 -0.51 0.00 0.00 58.31 58.11 2qa4 n LYS 154 Cb 0.11 -1.71 0.15 0.00 -0.51 0.00 0.00 35.03 33.08 2qa4 n LYS 154 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2qa4 n HIS 155 N -3.40 0.53 -2.94 2.13 -0.00 0.49 -4.88 115.22 107.14 2qa4 n HIS 155 Ca -0.30 -0.24 -0.29 0.00 0.46 0.00 0.00 57.72 57.34 2qa4 n HIS 155 Cb 1.05 -0.04 -0.02 0.00 -0.12 0.00 0.00 29.99 30.85 2qa4 n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2qa4 s ARG 156 N -1.59 3.69 -0.02 1.57 1.81 -0.96 -4.72 118.95 118.73 2qa4 s ARG 156 Ca 0.23 0.29 -0.23 0.00 -1.72 0.00 0.00 55.73 54.29 2qa4 s ARG 156 Cb 0.13 -2.45 -0.05 0.00 -0.45 0.00 0.00 34.95 32.13 2qa4 s ARG 156 CO 0.14 -0.01 0.70 -1.17 -0.68 0.00 0.00 175.30 174.28 2qa4 s LEU 157 N -3.97 4.38 0.32 2.53 2.96 -1.26 -5.04 118.68 118.60 2qa4 s LEU 157 Ca 0.48 1.27 0.05 0.00 -0.22 0.00 0.00 54.13 55.71 2qa4 s LEU 157 Cb -0.10 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 2qa4 s LEU 157 CO 0.34 -0.03 0.46 0.20 -1.32 0.00 0.00 176.35 176.00 2qa4 s ASN 158 N 0.31 6.10 0.32 3.68 -0.87 -1.26 -3.71 114.94 119.50 2qa4 s ASN 158 Ca 0.36 -0.00 0.04 0.00 -1.57 0.00 0.00 52.86 51.69 2qa4 s ASN 158 Cb -0.19 -1.53 0.65 0.00 -0.02 0.00 0.00 41.25 40.15 2qa4 s ASN 158 CO 0.19 -0.33 1.87 -0.65 -2.57 0.00 0.00 177.10 175.61 2qa4 h PRO 159 N 0.92 0.87 -0.23 -0.60 0.11 -1.76 -2.63 132.00 128.67 2qa4 h PRO 159 Ca -0.48 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 2qa4 h PRO 159 Cb 1.24 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qa4 h PRO 159 CO 0.57 0.57 -0.30 0.00 -0.21 0.00 0.00 178.00 178.63 2qa4 h ALA 160 N 1.56 0.35 -0.13 -0.75 0.00 -1.95 -3.02 119.26 115.32 2qa4 h ALA 160 Ca 0.45 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qa4 h ALA 160 Cb 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qa4 h ALA 160 CO -0.21 0.37 -0.01 -0.44 0.00 0.00 0.00 179.25 178.96 2qa4 h ASP 161 N 0.31 0.16 -0.06 0.00 3.32 -1.88 -2.48 116.42 115.79 2qa4 h ASP 161 Ca 0.03 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2qa4 h ASP 161 Cb 0.87 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2qa4 h ASP 161 CO 0.07 0.20 -0.29 0.00 -1.72 0.00 0.00 179.24 177.50 2qa4 h ALA 162 N 1.82 0.11 -0.71 3.45 0.00 -1.49 -2.91 119.26 119.53 2qa4 h ALA 162 Ca 0.04 -0.44 0.11 0.00 0.00 0.00 0.00 54.91 54.63 2qa4 h ALA 162 Cb 0.14 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 2qa4 h ALA 162 CO 0.00 0.15 0.32 0.28 0.00 0.00 0.00 179.25 180.00 2qa4 h VAL 163 N -0.22 0.76 0.27 0.00 2.07 -1.37 -2.26 116.25 115.50 2qa4 h VAL 163 Ca -0.02 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2qa4 h VAL 163 Cb 0.95 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2qa4 h VAL 163 CO 0.06 0.09 -0.43 0.00 0.02 0.00 0.00 177.57 177.32 2qa4 h ALA 164 N 1.48 -0.85 0.57 1.67 0.00 -1.46 -0.03 119.26 120.65 2qa4 h ALA 164 Ca 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2qa4 h ALA 164 Cb 0.48 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qa4 h ALA 164 CO -0.33 -1.03 -0.30 0.35 0.00 0.00 0.00 179.25 177.94 2qa4 h PHE 165 N -0.76 -0.78 -0.07 0.00 3.57 -1.26 -1.65 116.94 115.98 2qa4 h PHE 165 Ca -0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.49 2qa4 h PHE 165 Cb 0.73 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2qa4 h PHE 165 CO -0.30 -0.47 -0.03 0.82 -2.23 0.00 0.00 178.31 176.09 2qa4 h ILE 166 N -0.80 0.90 -0.63 1.41 2.04 -1.44 -2.10 117.51 116.88 2qa4 h ILE 166 Ca -0.07 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.92 2qa4 h ILE 166 Cb 0.63 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2qa4 h ILE 166 CO 0.11 0.00 0.43 -0.08 0.00 0.00 0.00 178.15 178.61 2qa4 h GLU 167 N -0.02 0.27 -0.98 2.37 4.81 -0.98 0.13 114.58 120.18 2qa4 h GLU 167 Ca 0.04 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2qa4 h GLU 167 Cb 0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2qa4 h GLU 167 CO -0.09 0.18 0.04 0.45 -0.73 0.00 0.00 179.01 178.86 2qa4 n SER 168 N -4.45 2.41 -2.95 1.04 2.88 -0.63 -3.99 113.62 107.94 2qa4 n SER 168 Ca 0.11 -2.14 -0.15 0.00 -1.33 0.00 0.00 58.87 55.37 2qa4 n SER 168 Cb 0.50 -0.53 -0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2qa4 n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2qa4 n THR 169 N 0.22 -0.29 -2.39 2.46 -1.04 0.46 -5.03 114.28 108.67 2qa4 n THR 169 Ca 0.05 -2.70 -0.07 0.00 -2.04 0.00 0.00 64.05 59.28 2qa4 n THR 169 Cb 0.51 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.06 2qa4 n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2qa4 n TYR 170 N 1.37 -1.17 -2.15 -1.42 4.02 -1.26 -5.00 117.16 111.55 2qa4 n TYR 170 Ca 0.15 0.42 0.00 0.00 -0.01 0.00 0.00 57.90 58.45 2qa4 n TYR 170 Cb 0.60 -3.31 0.00 0.00 -0.02 0.00 0.00 39.34 36.61 2qa4 n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2qa4 n ASP 171 N -2.29 0.00 -4.55 7.72 5.68 -1.26 -4.93 116.55 116.92 2qa4 n ASP 171 Ca -0.05 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 53.96 2qa4 n ASP 171 Cb 0.56 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.45 2qa4 n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2qa4 s VAL 172 N -2.58 1.33 0.00 2.12 1.01 -1.26 -4.72 120.40 116.29 2qa4 s VAL 172 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2qa4 s VAL 172 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2qa4 s VAL 172 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 175.10 173.26 2qa4 n GLU 173 N -1.01 0.00 0.00 2.72 0.28 -1.26 -4.80 120.64 116.56 2qa4 n GLU 173 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 2qa4 n GLU 173 Cb 0.67 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.54 2qa4 n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25